in order to represent the potential energy function over the whole range of r, many potentialenergy functions have been proposed. in the present paper, we employ many potential energyfunctions, to use numerov method for solving the nuclear schrödinger equation for the ifmolecule, as an example of a heteronuclear diatomic molecules. then we determine thespectroscopic constants eω , e e x ω , e b...

the complexation of sodium molybdate with para-sulfonatocalix [4] arene was studied in thetemperature range from 20 to 40 °c and ph = 5.8 by spectroscopic method in water solution. thestability constants of complexes were calculated by the multiwavelength analysis of spectral datausing squad program. the equilibrium constant, spectroscopic data, molar absorptivities andconcentrations of all spe...

The complexation of sodium molybdate with para-sulfonatocalix [4] arene was studied in thetemperature range from 20 to 40 °C and pH = 5.8 by spectroscopic method in water solution. Thestability constants of complexes were calculated by the multiwavelength analysis of spectral datausing SQUAD program. The equilibrium constant, spectroscopic data, molar absorptivities andconcentrations of all spe...

Based on a new criterion that was proposed to search for the universality of spectroscopic constants for bound ground-state diatomics [R. H. Xie and P. S. Hsu, Phys. Rev. Lett. 96, 243201 (2006)], we have found universal scaling relations between spectroscopic constants of diatomic systems with s-, p-, and d-type valence-shell constituents. Our study suggests a useful empirical approach for the...

The Generalized Relativistic Effective Core Potential (GRECP) calculation of spectroscopic constants for the HgH molecule and its ion is carried out with the help of the Fock-space Relativistic Coupled Cluster (RCC) method. The Basis Set Superposition Errors (BSSE) are estimated and discussed. It is demonstrated that the triple cluster amplitudes at least for 13 external electrons should be tak...

The electronic structures with spin-orbit effects of the zirconium nitride ZrN molecule are investigated by the methods of multireference single and double configuration interaction. The potential energy curves are calculated along with the spectroscopic constants for the lowest-lying 34 spin-orbit states Ω in ZrN. A good agreement is displayed by comparing the calculated spectroscopic constant...

Glycyrrhizin(GL), is a triterpenoid saponin found in glychyrrhiza glabra (liquorice). This compound is a frequently used and very effective drug for the treatment of various malignancies. This study was designed to examine the interactions of glycyrrhizin with calf thymus DNA in aqueous solution at physiological conditions. FTIR spectroscopic method was used to determine the ligand binding mode...

very smooth thin films of iridium have been deposited on super polished fused silica (sio2) substrates using dc magnetron sputtering in argon plasma. the influence of deposition process parameters on film micro roughness has been investigated. in addition, film optical constants have been determined using variable angle spectroscopic ellipsometery, over the spectra range from vacuum ultraviolet...